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PubMed code 23591111

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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PC cid
PC sid
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Article
PubMed
n/an/a 67n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Bioorg Med Chem Lett 23: 3346-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.084
BindingDB Entry DOI: 10.7270/Q2MK6F89
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50434406
PNG
(CHEMBL2387320)
Show SMILES OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CNC(=O)CCCCCCC(=O)NO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]1[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C50H84N2O37/c53-8-15-38-25(63)32(70)46(78-15)86-40-17(10-55)80-48(34(72)27(40)65)88-42-19(12-57)82-50(36(74)29(42)67)89-43-20(13-58)81-49(35(73)28(43)66)87-41-18(11-56)79-47(33(71)26(41)64)85-39-16(9-54)77-45(31(69)24(39)62)83-37-14(76-44(84-38)30(68)23(37)61)7-51-21(59)5-3-1-2-4-6-22(60)52-75/h14-20,23-50,53-58,61-75H,1-13H2,(H,51,59)(H,52,60)/t14-,15-,16-,17-,18-,19-,20-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m1/s1
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


Bioorg Med Chem Lett 23: 3346-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.084
BindingDB Entry DOI: 10.7270/Q2MK6F89
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%